1.0 2020-03-26 03:39:04 UTC 2020-04-22 19:36:20 UTC BMDB0102481 TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6) 1-(9Z-Tetradecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(11Z,14Z-eicosadienoyl)-glycerol 1-Myristoleoyl-2-docosapentaenoyl-3-eicosadienoyl-glycerol TAG(14:1/22:5/20:2) TAG(14:1/22:5/20:2n6) TAG(14:1/22:5/20:2W6) TAG(56:8) TG(14:1/22:5/20:2) TG(14:1/22:5/20:2n6) TG(14:1/22:5/20:2W6) TG(56:8) Tracylglycerol(14:1/22:5/20:2) Tracylglycerol(14:1/22:5/20:2n6) Tracylglycerol(14:1/22:5/20:2W6) Tracylglycerol(56:8) Triacylglycerol Triglyceride 1-Myristoleoyl-2-clupanodonoyl-3-eicosadienoyl-glycerol TG(14:1n5/22:5n3/20:2n6) TG(14:1W5/22:5W3/20:2W6) Tag(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) Tag(14:1n5/22:5n3/20:2n6) Tag(14:1W5/22:5W3/20:2W6) Triacylglycerol(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) Triacylglycerol(14:1/22:5/20:2) Triacylglycerol(14:1n5/22:5n3/20:2n6) Triacylglycerol(14:1W5/22:5W3/20:2W6) Triacylglycerol(56:8) TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:2n6) C59H98O6 903.427 902.736340876 (2R)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2R)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31,35,38,56H,4-6,8-9,11-14,21-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1 KIZLSIGTRFZUPH-ZMTZGGATSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.44 ALOGPS logs -8.27 ALOGPS logp 19.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 903.427 ChemAxon mono_mass 902.736340876 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C59H98O6 ChemAxon inchi InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,29,31,35,38,56H,4-6,8-9,11-14,21-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1 ChemAxon inchikey KIZLSIGTRFZUPH-ZMTZGGATSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.03 ChemAxon polarizability 114.73 ChemAxon rotatable_bond_count 50 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 227858 Specdb::MsMs 632662 Specdb::MsMs 632663 Specdb::MsMs 632664 Specdb::MsMs 949807 Specdb::MsMs 949808 Specdb::MsMs 949809 Specdb::MsMs 2453710 Specdb::MsMs 2453711 Specdb::MsMs 2453712 Specdb::MsMs 2668261 Specdb::MsMs 2668262 Specdb::MsMs 2668263 Specdb::MsMs 2876438 Specdb::MsMs 2876439 Specdb::MsMs 2876440 Specdb::MsMs 2935652 Specdb::MsMs 2935653 Specdb::MsMs 2935654 Specdb::MsMs 3013220 Specdb::MsMs 3013221 Specdb::MsMs 3013222 131759196